SCHEMBL9309751

SCHEMBL9309751

Cc1nc(O)c(Cc2ccc(-c3ccccc3C#N)cc2)c(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
PPARG P37231 2/20 0.39
CNR2 P34972 1/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
PRKAG1 P54619 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
MME P08473 1/20 0.35
GBA1 P04062 1/20 0.35
UGCG Q16739 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ADAM17 P78536 1/20 0.35
ABL1 P00519 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9309824 0.88 PPARG (0.40) ESR2PPARGCNR2FFAR1AKR1B1
SCHEMBL9309094 0.85 PPARG (0.36) ESR2PPARGCNR2OXTRAVPR1A
SCHEMBL9309571 0.81 ESR2 (0.45) ESR2PPARGFFAR1AKR1B1MYC
SCHEMBL1889453 0.80 KDM4E (0.41) PPARGCNR2
SCHEMBL9307715 0.80 PPARG (0.49) ESR2PPARGAGTR1AGTR2
SCHEMBL9308998 0.79 KDM4E (0.37) PPARGCNR2PRKAG1PRKAA1PRKAB1
SCHEMBL9308844 0.78 PPARG (0.45) ESR2PPARGAGTR1AGTR2
SCHEMBL1890638 0.77 CCR2 (0.39) PPARGCNR2
SCHEMBL1890018 0.75 ESR2 (0.45) ESR2PPARGFFAR1AKR1B1MYC
SCHEMBL9311500 0.75 AGTR1 (0.49) AGTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed